4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid

C11H19F3N2O3 — CID 61203643

IUPAC4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(2)16(6-4-5-9(17)18)10(19)15(3)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyYPDGFLJVDAWUPF-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.18
Rot. Bonds6

About 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid

4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 61203643) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID61203643
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(2)16(6-4-5-9(17)18)10(19)15(3)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyYPDGFLJVDAWUPF-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid (CID 61203643) is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is YPDGFLJVDAWUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(2)16(6-4-5-9(17)18)10(19)15(3)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid?
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61203643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).